8-chloranyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(pyridin-3-ylmethylamino)quinoline-3-carbonitrile

Systemtic Name: 8-chloranyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(pyridin-3-ylmethylamino)quinoline-3-carbonitrile Openeye Name: 8-chloro-4-(3-chloro-4-fluoro-anilino)-6-(3-pyridylmethylamino)quinoline-3-carbonitrile CAS Name: 8-chloro-4-(3-chloro-4-fluoroanilino)-6-(3-pyridinylmethylamino)-3-quinolinecarbonitrile IUPAC Name: 8-chloro-4-(3-chloro-4-fluoroanilino)-6-(pyridin-3-ylmethylamino)quinoline-3-carbonitrile Traditional Name: 8-chloro-4-(3-chloro-4-fluoro-anilino)-6-(3-pyridylmethylamino)quinoline-3-carbonitrile Formula: C22H14Cl2FN5 MolecularWeight: 438.284463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=CC(=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)F)Cl)Cl

Isomeric SMILES

C1=CC(=CN=C1)CNC2=CC(=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)F)Cl)Cl

InChI

InChI=1S/C22H14Cl2FN5/c23-18-7-15(3-4-20(18)25)30-21-14(9-26)12-29-22-17(21)6-16(8-19(22)24)28-11-13-2-1-5-27-10-13/h1-8,10,12,28H,11H2,(H,29,30)